8IWA

Crystal structure of Q9PR55 at pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-12-16
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	74.856, 54.006, 77.476
Unit cell angles	90.00, 91.04, 90.00

Refinement procedure

Resolution	28.740 - 2.510
R-factor	0.2156
Rwork	0.212
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.791
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.740	2.600
High resolution limit [Å]	2.510	2.510
Rmerge	0.074	0.524
Rmeas	0.081	0.588
Rpim	0.033	0.261
Number of reflections	20839	1835
<I/σ(I)>	18.2	2.1
Completeness [%]	97.4	86
Redundancy	5.8	4.3
CC(1/2)		0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	magnesium sulfate, MES